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543694-40-2 | N-Methyl-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CAS No: 543694-40-2 Catalog No: AG00JAAM MDL No:MFCD03368386
Product Description
Catalog Number:
AG00JAAM
Chemical Name:
N-Methyl-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CAS Number:
543694-40-2
Molecular Formula:
C11H14N4O2S2
Molecular Weight:
298.3845
MDL Number:
MFCD03368386
IUPAC Name:
N-methyl-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
InChI:
InChI=1S/C11H14N4O2S2/c1-14(8-10-12-13-11(18)15(10)2)19(16,17)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,18)
InChI Key:
YRPZOOJDSAEOIR-UHFFFAOYSA-N
SMILES:
Cn1c(nnc1S)CN(S(=O)(=O)c1ccccc1)C
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.056g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.379g/mol
Monoisotopic Mass:
298.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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